WP2 e-NMR Grid deployment and

operations

Technical Review in Brussels8th of December 2009

Marco Verlato

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Outline

• WP2 mandate• Activity summary• Future plans

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Overview

From the DoW:“The main objective of this project is to optimise and extend the use of the EU-NMR Research Infrastructures through the implementation of an e-Infrastructure, e-NMR. This e-Infrastructure will provide the European bio-NMR user community with a platform that integrates and streamlines the computational approaches necessary for bio-NMR data analyses. The e-NMR infrastructure will be based on the Grid infrastructure”

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WP2 Mandate

• Objective 1: “Deploy and support an interoperable Grid infrastructure at the three NMR infrastructures to be later integrated with EGEE”

• Measure of success:1. The completion of the installation of the middleware at

the three NMR research infrastructures2. Number of enmr.eu VO registered users3. Number of sites participating in the e-NMR grid4. Statistics of use of the infrastructure: n.of jobs,

CPU.hours, availability of resources5. Number of queries issued and solved by the support

team

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WP2 tasks

• Start date: PM1• Duration: 36 Months• WP leader: INFN• Tasks:

– T2.1: Deployment of the e-NMR grid infrastructure– T2.2: e-NMR Grid Operation Centre (GOC) – T2.3: Integration of JRA components

Part. BMRZ CIRMMP BCBR INFN

MMs 10 10 10 22

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WP2 Milestones & Deliverables up to II year

Nov

200

7M

1

Ap

r 2

00

9M

1

8

M2.1: Grid infrastructure

operational

Jul

200

9M

2

1

D2.2: Assessment of the e-NMR infrastructure

and GOC report

D2.3: New components’ integration and

deployment report

Oct

200

8M

1

2

D2.1: e-NMR grid

infrastructure operational

Oct

200

9M

2

4

M2.2: First integration of JRA developed

components

6

D2.8: Survey of the interestand demands of the

user community as well as potential industrial

stakeholders with respect to the

provision of fee basedservices and/or

training activities

We are here

T2.1: Deployment of the e-NMR grid infrastructure

• Second year achievements:– New resources added to e-NMR infrastructure– Grid sites at NMR labs joined their NGI / EGEE ROC

• CIRMMP IGI/EGEE ROC IT• BCBR BigGrid/EGEE ROC NE• BMRZ D-Grid/EGEE ROC GE/SWI

– Hydra keystores deployed at main e-NMR sites to enable gLite Encrypted Data Storage system

– Per-application accounting implemented via VOMS groups

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e-NMR Grid in October 2009

CEs, SEs and UIs at sites:252 CPU-cores2.9 TB storagededicated+4185 CPU-cores35.2 TB storage shared with IGI and BigGRID+more resources expected from: - NGS (UK NGI) - ROC Central Europe - South African Grid

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T2.1

Extension to SAGrid

• South African National Compute Grid (SAGrid) and Bioscience Unit of the South African Council of Scientific and Industrial Research (CSIR) are supporting e-NMR

• SAGrid is deploying production grid services to South African research institutes and universities using the gLite middleware

• SAGrid CA expected to be operational by Spring 2010• 7 sites currently under test/validation with e-NMR software,

available soon for sharing with enmr.eu VO• VO support model being discussed by SAGrid in June 2010

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Evolution of the infrastructure

Resources deployed Applications deployed

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T2.1

Geographical view of users distribution

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T2.1

Central Services

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Ready to cope with increasing job workloadEnabling EDS

T2.1

Encrypted Data Storage system

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T2.1

m-of-n splitting of keys:• reliability: m of n working key servers are enough• security: compromise of a single server does not reveal the keys

T2.2: e-NMR Grid Operation Centre

• The deployed grid infrastructure has to be managed, monitored and supported

• It means:– Complement the basic grid services deployed with further tools

to proactively monitor and account the usage of the infrastructure

– Provide support to both users and project’s developers and resource managers through documentation, wiki, mailing lists, sw repositories, etc., typically accessed via the project web portal

– Implement mechanisms to address operational problems and answer support requests

• Leveraging as much as possible on already existing operational procedures and tools adopted by EGEE

see D2.2: Assessment of the e-NMR infrastructure and GOC report (M18)

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Monitoring

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GOCDB SAM

WMSMon

GStat

T2.2

Site Availability (from gridview.cern.ch)

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Sites in certification

T2.2

EGEE Availability and Reliability ReportOctober 2009

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T2.2

Accounting 1/3

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HTC-BIGGRID

NIKHEF-ELPROD

Usage records sent to GOCDB

T2.1

Accounting 2/3

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T2.2

Accounting 3/3

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Largest used VO in Life Sciences

6 CPU.yrs/weekon average:among the ~20most active EGEE VOs

T2.2

Per-application accounting

• Planned exploiting the granularity made available by the VOMS service:– a VOMS group defined for each application– e.g.: voms-proxy-init –voms enmr.eu:/enmr.eu/haddock– the user proxy carries the VOMS group info– The usage records collected and stored by the grid accounting

services have the VOMS group information and allow the aggregate usage of each application to be measured and shown through the accounting visualization tools

• The implementation has started gradually– it requires both a re-configuration of the main grid services

(WMS and CEs) – ..and a not negligible modification of the code behind the

portals which handles the automatic grid job management– Do not interrupt the production services offered to the users,

testing deeply the solution in parallel instances before switching to production mode

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T2.2

Users’ & operations support

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T2.2

• ~ monthly gLite release updates– 14 in the last year– Transition from gLite 3.1 to gLite 3.2– Transition from SL4 to SL5– Transition from i386 to x86_64

• WP2 leverages on IGI and Dutch NGI expertise to support grid site admins via enmr-sitemanagers mailing list (35 monthly messages on average)

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Users’ & operations supportT2.2

T2.3: Integration of JRA components

• Task aimed to support Joint Research Activities

• Use of Trac system: a joint development platform providing

– Wiki, timeline to track changes – Support for project planning and

issue tracking – Access to a subversion (SVN)

source code repository

• Single unified software structure that simplifies deployment of all e-NMR at the different sites

• It will also help in making the e-NMR software available to external sites (e.g. industry)

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see D2.3: New components’ integration and deployment report (M21)

Grid layer: Job submission, job polling, SE data handling, etc.

Web layer: user interaction, HTML form handling, gathering data for program execution, etc.

Worker layer: Scripts that run on worker nodes (e.g. to set up environment to run CNS).

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Web portal GSI authentication and user proxy delegation

T2.3

Grid job automation and management

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T2.3

D2.8: Survey of interest about provisioning of fee-based services (M24)

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• online survey www.enmr.eu/Survey• advertised on Belief portal• 5 answers until now• all positive• next step: D2.9: Evaluation of the results of the survey and implementation of consequent actions (M27)

WP2 future plans

• To support the extension of enmr.eu VO to NGS, Central Europe ROC and SAGrid resources

• 2010 will see the transition from EGEE to EGI– dialog with EGI can begin in December 2009– NGIs will continue to support and provide resources for

the enmr.eu VO

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